10967/37 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Yarbrough, J.W.; Pilkington, T.B. Aquatic toxicity and abiotic thiol reactivity of aliphatic isothiocyanates: Effects of alkyl-size and -shape. Environ. Toxicol. Pharmacol. 2007, 23, 1, 10–17.

28 compounds | Property IGC50: 40-h Tetrahymena toxicity as IGC50 [mmol/L]

IDNameIGC50Details
1Propyl isothiocyanate0.020View
2Cyclopropyl isothiocyanate0.014View
3Allyl isothiocyanate0.014View
4Propargyl isothiocyanate0.0057View
51,3-Propylene diisothiocyanate0.0009View
6Butyl isothiocyanate0.019View
72-Butyl isothiocyanate0.077View
8Isobutyl isothiocyanate0.023View
9tert-Butyl isothiocyanate4.373View
101,4-Butylene diisothiocyanate0.0008View
11Pentyl isothiocyanate0.020View
12Cyclopentyl isothiocyanate0.025View
132-Pentyl isothiocyanate0.069View
143-Pentyl isothiocyanate0.099View
153-Methylbutyl isothiocyanate0.024View
163-Methyl-2-butyl isothiocyanate0.120View
17tert-Pentyl isothiocyanate0.440View
18Hexyl isothiocyanate0.018View
19Cyclohexyl isothiocyanate0.024View
201,6-Hexane diisothiocyanate0.0003View
21Heptyl isothiocyanate0.0052View
22Octyl isothiocyanate0.0058View
232-Octyl isothiocyanate0.014View
24tert-Octyl isothiocyanate0.029View
25Nonyl isothiocyanate0.0036View
26Decyl isothiocyanate0.004View
271-Adamantyl isothiocyanateNTASView
28Dodecyl isothiocyanateNTASView

Bibliography

  1. Schultz, T. W.; Yarbrough, J. W.; Pilkington, T. B. Aquatic toxicity and abiotic thiol reactivity of aliphatic isothiocyanates: Effects of alkyl-size and -shape. Environ. Toxicol. Pharmacol. 2007, 23, 10–17. https://doi.org/10.1016/j.etap.2006.05.005

  2. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. https://doi.org/10.1080/105172397243079